LMPR0103190013
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
   10.4433    9.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0410    8.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4433    7.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7540    8.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7540    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974    7.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6505    7.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6505    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0371    8.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7526    9.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7422    6.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872    8.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872    9.8209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872    6.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 16  1  1  0  0  0  0
  3  2  1  0  0  0  0
 12  2  2  0  0  0  0
 18 16  1  0  0  0  0
  9 16  1  0  0  0  0
 18  3  1  0  0  0  0
 15  3  2  0  0  0  0
 18  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 14  1  1  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
 11  6  1  0  0  0  0
 10  7  1  0  0  0  0
  7 13  1  1  0  0  0
 11 10  1  0  0  0  0
 16 17  1  6  0  0  0
 18 19  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103190013

> <COMMON_NAME>
alantolactone

> <SYSTEMATIC_NAME>
(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one

> <FORMULA>
C15H20O2

> <MASS>
232.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Eudesmane sesquiterpenoids [PR010319]

> <SYNONYMS>
Alantolactone; Helenin; Eupatal

> <INCHI_KEY>
PXOYOCNNSUAQNS-AGNJHWRGSA-N

> <INCHI>
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1

> <SMILES>
O1[C@]2([H])C[C@@]3(C)CCC[C@H](C)C3=C[C@]2([H])C(=C)C1=O

> <KEGG_ID>
C09289

> <HMDB_ID>
-

> <CHEBI_ID>
2540

> <ABBREVIATION>
-

> <CAYMAN_ID>
29762

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
72724

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55635

> <CITATION>
13537178

$$$$